5-nitro-2-[[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione

Systemtic Name: 5-nitro-2-[[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione Openeye Name: 5-nitro-2-[[1-(1-piperidylmethyl)benzimidazol-2-yl]methyl]isoindoline-1,3-dione CAS Name: 5-nitro-2-[[1-(1-piperidinylmethyl)-2-benzimidazolyl]methyl]isoindole-1,3-dione IUPAC Name: 5-nitro-2-[[1-(piperidin-1-ylmethyl)benzimidazol-2-yl]methyl]isoindole-1,3-dione Traditional Name: 5-nitro-2-[[1-(piperidinomethyl)benzimidazol-2-yl]methyl]isoindoline-1,3-quinone Formula: C22H21N5O4 MolecularWeight: 419.43324

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CN2C3=CC=CC=C3N=C2CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)CN2C3=CC=CC=C3N=C2CN4C(=O)C5=C(C4=O)C=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H21N5O4/c28-21-16-9-8-15(27(30)31)12-17(16)22(29)25(21)13-20-23-18-6-2-3-7-19(18)26(20)14-24-10-4-1-5-11-24/h2-3,6-9,12H,1,4-5,10-11,13-14H2